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1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate;sulfuric acid;dihydrate

1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate;sulfuric acid;dihydrate structure

CAS No:
63716-96-1
Formula:
C42H52N2O10S
Chemical Name:
1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate;sulfuric acid;dihydrate
Synonyms:
63716-96-1;Ro 2-3202/2;3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate;Acetic acid, diphenyl-, ester with 3-quinuclidinol, hydrogen sulfate (2:1) dihydrate;Azabicyclo(2.2.1)octan-3-ol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate;DTXSID50980126;Sulfuric acid--1-azabicyclo[2.2.2]octan-3-yl diphenylacetate--water (1/2/2)

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1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate;sulfuric acid;dihydrate Basic Attributes

Molecular Weight：

776.9 g/mol

Exact Mass：

776.33426703 g/mol

Characteristics

PSA：

144 Å²

Computed Properties

Molecular Weight:776.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:776.33426703
Monoisotopic Mass:776.33426703
Topological Polar Surface Area:144
Heavy Atom Count:55
Complexity:481
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes

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Guide of 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate;sulfuric acid;dihydrate

Basic Attributes
Characteristics
Computed Properties
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